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DocumentationIdentifier: MM41801
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41801 |
| SMILES |
COCCC(C)(O)CF
|
| InChIKey |
LCQBYPPIWIRXHY-UHFFFAOYSA-N
|
| MW [Da] |
136.17
Automatically obtained from RDkit software. |
| LogP |
0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM239256
Similarity: 0.8646
Similarity to MM239256
| Tanimoto metric | 0.8646 |
|---|---|
| Cosine metric | 0.9298 |
| Dice metric | 0.9274 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42145
Similarity: 0.6698
Similarity to MM42145
| Tanimoto metric | 0.6698 |
|---|---|
| Cosine metric | 0.8038 |
| Dice metric | 0.8023 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112562
Similarity: 0.6506
Similarity to MM112562
| Tanimoto metric | 0.6506 |
|---|---|
| Cosine metric | 0.8066 |
| Dice metric | 0.7883 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+499 more
